2,3-dimethylbutane-2,3-diol;fluoren-1-one

C19H22O3 — CID 174955276

IUPAC2,3-dimethylbutane-2,3-diol;fluoren-1-one
SMILESCC(C)(O)C(C)(C)O.O=C1C=CC=C2C1=Cc1ccccc12
InChIInChI=1S/C13H8O.C6H14O2/c14-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13;1-5(2,7)6(3,4)8/h1-8H;7-8H,1-4H3
InChIKeyBRNXSLHDJUSLMR-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.13
Rot. Bonds1

About 2,3-dimethylbutane-2,3-diol;fluoren-1-one

2,3-dimethylbutane-2,3-diol;fluoren-1-one (PubChem CID 174955276) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2,3-dimethylbutane-2,3-diol;fluoren-1-one.

Molecular Properties

Compound Name2,3-dimethylbutane-2,3-diol;fluoren-1-one
PubChem CID174955276
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name2,3-dimethylbutane-2,3-diol;fluoren-1-one
SMILESCC(C)(O)C(C)(C)O.O=C1C=CC=C2C1=Cc1ccccc12
InChIInChI=1S/C13H8O.C6H14O2/c14-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13;1-5(2,7)6(3,4)8/h1-8H;7-8H,1-4H3
InChIKeyBRNXSLHDJUSLMR-UHFFFAOYSA-N
XLogP3.13
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane-2,3-diol;fluoren-1-one?
The IUPAC name of 2,3-dimethylbutane-2,3-diol;fluoren-1-one (CID 174955276) is 2,3-dimethylbutane-2,3-diol;fluoren-1-one.
What is the SMILES notation for 2,3-dimethylbutane-2,3-diol;fluoren-1-one?
The canonical SMILES for 2,3-dimethylbutane-2,3-diol;fluoren-1-one is CC(C)(O)C(C)(C)O.O=C1C=CC=C2C1=Cc1ccccc12.
What is the InChIKey of 2,3-dimethylbutane-2,3-diol;fluoren-1-one?
The InChIKey is BRNXSLHDJUSLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O.C6H14O2/c14-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13;1-5(2,7)6(3,4)8/h1-8H;7-8H,1-4H3.
What are the key properties of 2,3-dimethylbutane-2,3-diol;fluoren-1-one?
2,3-dimethylbutane-2,3-diol;fluoren-1-one has a molecular weight of 298.38 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane-2,3-diol;fluoren-1-one is sourced from PubChem (CID 174955276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).